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PostDOCK: a structural, empirical approach to scoring protein ligand complexes.
J Med Chem. 2005 Nov 3;48(22):6821-31. doi: 10.1021/jm0493360.
J Med Chem. 2005.
PMID: 16250641
Generation and evaluation of putative neuroregenerative drugs. Part 2: screening virtual libraries of novel polyketides which possess the binding domain of rapamycin.
Adalsteinsson H, Bruice TC.
Adalsteinsson H, et al.
Bioorg Med Chem. 2000 Mar;8(3):625-35. doi: 10.1016/s0968-0896(99)00324-7.
Bioorg Med Chem. 2000.
PMID: 10732979
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Generation and evaluation of putative neuroregenerative drugs. Part 1: virtual point mutations to the polyketide rapamycin.
Adalsteinsson H, Bruice TC.
Adalsteinsson H, et al.
Bioorg Med Chem. 2000 Mar;8(3):617-24. doi: 10.1016/s0968-0896(99)00323-5.
Bioorg Med Chem. 2000.
PMID: 10732978
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Ionization energies of metallocenes: a coupled cluster study of cobaltocene.
Aðalsteinsson HM, Bjornsson R.
Aðalsteinsson HM, et al.
Phys Chem Chem Phys. 2023 Feb 8;25(6):4570-4587. doi: 10.1039/d2cp04715b.
Phys Chem Chem Phys. 2023.
PMID: 36723003
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Evaluation of cobalt complexes with tripod ligands for zinc finger targeting.
Aðalsteinsson HM , Lima FA , Galuppo C , Abbehausen C .
Aðalsteinsson HM , et al.
Dalton Trans. 2020 Nov 25;49(45):16143-16153. doi: 10.1039/d0dt00067a.
Dalton Trans. 2020.
PMID: 32239007
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The influence of ZnII coordination sphere and chemical structure over the reactivity of metallo-β-lactamase model compounds.
de Arruda EGR , Rocha BA , Barrionuevo MVF , Aðalsteinsson HM , Galdino FE , Loh W , Lima FA , Abbehausen C .
de Arruda EGR , et al. Among authors: adalsteinsson hm.
Dalton Trans. 2019 Feb 26;48(9):2900-2916. doi: 10.1039/c8dt03905d.
Dalton Trans. 2019.
PMID: 30462122
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